Extrapolating DFT Toward the Complete Basis Set Limit: Lessons from the PBE Family of Functionals
Author:
Affiliation:
1. School of Molecular and Life Sciences, Curtin University, G.P.O. Box U1987, Perth 6845, Western Australia, Australia
Funder
Forrest Research Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00542
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